2-bromo-5-tert-butylpyrimidine

C8H11BrN2 — CID 83917119

IUPAC2-bromo-5-tert-butylpyrimidine
SMILESCC(C)(C)c1cnc(Br)nc1
InChIInChI=1S/C8H11BrN2/c1-8(2,3)6-4-10-7(9)11-5-6/h4-5H,1-3H3
InChIKeyAQXNNEIFLPMDQR-UHFFFAOYSA-N
MW215.09 g/mol
LogP2.54
Rot. Bonds

About 2-bromo-5-tert-butylpyrimidine

2-bromo-5-tert-butylpyrimidine (PubChem CID 83917119) has the molecular formula C8H11BrN2 and a molecular weight of 215.09 g/mol. Its IUPAC name is 2-bromo-5-tert-butylpyrimidine.

Molecular Properties

Compound Name2-bromo-5-tert-butylpyrimidine
PubChem CID83917119
Molecular FormulaC8H11BrN2
Molecular Weight215.09 g/mol
Exact Mass214.01
IUPAC Name2-bromo-5-tert-butylpyrimidine
SMILESCC(C)(C)c1cnc(Br)nc1
InChIInChI=1S/C8H11BrN2/c1-8(2,3)6-4-10-7(9)11-5-6/h4-5H,1-3H3
InChIKeyAQXNNEIFLPMDQR-UHFFFAOYSA-N
XLogP2.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.09
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-tert-butylpyrimidine?
The IUPAC name of 2-bromo-5-tert-butylpyrimidine (CID 83917119) is 2-bromo-5-tert-butylpyrimidine.
What is the SMILES notation for 2-bromo-5-tert-butylpyrimidine?
The canonical SMILES for 2-bromo-5-tert-butylpyrimidine is CC(C)(C)c1cnc(Br)nc1.
What is the InChIKey of 2-bromo-5-tert-butylpyrimidine?
The InChIKey is AQXNNEIFLPMDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2/c1-8(2,3)6-4-10-7(9)11-5-6/h4-5H,1-3H3.
What are the key properties of 2-bromo-5-tert-butylpyrimidine?
2-bromo-5-tert-butylpyrimidine has a molecular weight of 215.09 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-tert-butylpyrimidine is sourced from PubChem (CID 83917119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).